CID 74322

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-(2-hydroxyethyl)octane-1-sulfonamide

Structural Information

Molecular Formula
C12H10F17NO3S
SMILES
CCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3
InChIKey
HUFHNYZNTFSKCT-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

324
Patents

571.011 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.018276 182.3
[M+Na]+ 594.000218 186.8
[M-H]- 570.003724 191.3
[M+NH4]+ 589.044823 193.2
[M+K]+ 609.974158 196.3
[M+H-H2O]+ 554.008260 170.2
[M+HCOO]- 616.009201 199.2
[M+CH3COO]- 630.024851 247.0
[M+Na-2H]- 591.985666 180.1
[M]+ 571.01045142 182.1
[M]- 571.01154858 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe